Structure of PDB 2xwy Chain A

Receptor sequence

>2xwyA (length=507)

SMSYTWTGALITPCMVYATTSRSAGLRQKKVTFDRLQVLDDHYRDVLKEM
KAKASTVKAKLLSVEEACKLTPPHSAKSKFGYGAKDVRNLSSKAVNHIHS
VWKDLLEDTVTPIDTTIMAKNEVFCVQPGRKPARLIVFPDLGVRVCEKMA
LYDVVSTLPQVVMGSSYGFQYSPGQRVEFLVNTWKSKKNPMGFSYDTRCF
DSTVTENDIRVEESIYQCCDLAPEARQAIKSLTERLYIGGPLTNSKGQNC
GYRRCRASGVLTTSCGNTLTCYLKASAACRAAKLQDCTMLVNGDDLVVIC
ESAGTQEDAASLRVFTEAMTRYSAPPGDPPQPEYDLELITSCSSNVSVAH
DASGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIMYAPTLWARMI
LMTHFFSILLAQEQLEKALDCQIYGACYSIEPLDLPQIIERLHGLSAFSL
HSYSPGEINRVASCLRKLGVPPLRVWRHRARSVRARLLSQGGRAATCGKY
LFNWAVK

3D structure

• PDB: 2xwy Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
• Chain: A
• Resolution: 2.53 Å

Enzymatic activity

• Enzyme Commision number: 2.7.7.48: RNA-directed RNA polymerase.
  3.4.21.98: hepacivirin.
  3.4.22.-
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	IB8	A	V37 A395 A396 H428 G493 V494 P495 R503	V16 A371 A372 H404 G469 V470 P471 R479	PDBbind-CN: -logKd/Ki=5.22,IC50=6uM
BS02	MN	A	D220 T221 D318	D196 T197 D294
BS03	MN	A	D220 D318 D319	D196 D294 D295

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0003968 RNA-dependent RNA polymerase activity

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:2xwy, PDBe:2xwy, PDBj:2xwy
• PDBsum: 2xwy
• PubMed: 21141896
• UniProt: P26663|POLG_HCVBK Genome polyprotein